Origin of the reaction temperature in solid-state materials synthesisTemperature plays a crucial role in solid-state materials synthesis, but there is currently no mechanistic theory to explain or predict which temperature is best to conduct a solid-state reaction.…Shibo Tan, Gabrielle E. Kamm, Alex Stangel et al.·Aug 5, 2026SaveLearn
Neural electron backscatter diffractionAt the mesoscale, the state of a material is described by continuous fields. In polycrystals, crystallographic orientation and defect content vary continuously within grains, and grain boundaries…I-Tzu Huang, Marat I. Latypov·Aug 5, 2026SaveLearn
Uncovering Antipolar Ordering and Pressure-Tunable Phases in Hexagonal LaNWe predict an antipolar instability in hexagonal LaN using first-principles density functional theory. Starting from a nonpolar hexagonal phase, we identify competing polar and antipolar zone-center…Atanu Paul, Laurent Bellaiche, Charles Paillard·Aug 5, 2026SaveLearn
Electronic and Vibrational Properties of On-Surface Synthesized Gulf-Edged Chiral Graphene NanoribbonsOn-surface synthesis enables graphene nanoribbons (GNRs) with atomic precision, but the structural diversity of chiral GNRs remains constrained by the limited range of precursor architectures. Here,…Xuanchen Li, Amogh Kinikar, Vikas Sharma et al.·Aug 5, 2026SaveLearn
Ferroelectric Band Twinning from Pair-State SymmetryFerroelectric switching provides a nonvolatile way to control electronic structures, but a general symmetry rule connecting the full Bloch bands of two switchable polarization states is still…Shibo Fang, Jianhua Wang, Zhenzhou Guo et al.·Aug 5, 2026SaveLearn
Unquenched orbital angular momentum as the origin of spin inertiaThe recent proposal and observation of spin inertia, and the consequent high-frequency spin nutation mode, have raised key questions for our understanding of magnetization dynamics, especially…Tarek Moussa, Darpa Narayan Basu, Ritwik Mondal et al.·Aug 5, 2026SaveLearn
Emergence of multiple quasi-ferromagnetic magnon modes induced by strong magnetoelastic coupling in TmFeO3 single crystalWe investigate the magnetization dynamics of TmFeO3 single crystals across the spin-reorientation phase transition using broadband microwave absorption spectroscopy up to 87.5 GHz. Temperature-…Sourabh Manna, Felix Fuhrmann, Sergio Rodríguez Fernández et al.·Aug 5, 2026SaveLearn
Nonequilibrium Photocarrier and Phonon Dynamics from First Principles: a Unified Treatment of Carrier-Carrier, Carrier-Phonon, and Phonon-Phonon ScatteringWe develop a first-principles many-body framework to describe the dynamics of photocarriers and phonons in semiconductors following ultrafast excitation. Our approach incorporates explicit ab initio…Stefano Mocatti, Giovanni Marini, Giulio Volpato et al.·Aug 5, 2026SaveLearn
Modeling oxygen-void interactions in uranium nitrideOxygen impurities in uranium nitride (UN) are reported to influence its swelling behavior under irradiation, yet the underlying mechanism remains unknown. In this work, we develop a first-principles…Mohamed AbdulHameed, Anton J. Schneider, Benjamin Beeler et al.·Aug 5, 2026SaveLearn
Electron correlation in semiconductors and insulators via symbolic regressionPredicting quasiparticle energies in materials requires expensive numerical evaluations of the electron self-energy. This limits calculations to ordered systems with small unit cells. Here, using…Nick Pant, Viet-Anh Ha, Donghwan Kim et al.·Aug 4, 2026SaveLearn
First-principles predictions of carrier mobility with record accuracy using GW perturbation theoryAccurate prediction of carrier mobility is critical for the discovery and design of next-generation electronic materials. Despite sustained progress, state-of-the-art ab initio methods remain limited…Nick Pant, Sabyasachi Tiwari, Steven G. Louie et al.·Aug 4, 2026SaveLearn
Computational Microstructure Analysis of Sintered CeramicsCharacterizing materials through manual extraction of physical properties from microstructure images is a laborious process. This work presents a workflow to extract porosity, solid fraction, grain…Nikhil Dhanankam, Deeksha Kodangal, Rajendra K. Bordia et al.·Aug 4, 2026SaveLearn
Green's function theory of magnetism in Bi2CuO4: anisotropic Heisenberg XYZ modelThe Green's function theory of Lymar' and Rudoi [Theor. Math. Phys. vol. 21, 990 (1974)] is generalized to the case of multiple intra- and inter-sublattice magnetic interactions in a…R. O. Kuzian, E. E. Krasovskii·Aug 4, 2026SaveLearn
Pressure-Tunable Electronic and Magnonic Transport in Altermagnet La2O3Mn2Se2Hydrostatic pressure provides a symmetry-preserving route to engineer electronic and magnonic transport in the correlated insulating altermagnet La2O3Mn2Se2. Using first-principles…Nafise Rezaei, Alireza Qaiumzadeh, Artem R. Oganov et al.·Aug 4, 2026SaveLearn
Emergence of Chiral Helimagnetic Order in Chromium-intercalated Tantalum Disulfide CrTa3S6 Powders with Controlled IntercalationWe report a highly sensitive change in magnetic properties of a chiral Cr-intercalated transition-metal dichalcogenide CrxTa3S6. Magnetization curves and small-angle neutron scattering…Ayaka Toshima, Keigo Mizutani, Yusuke Kousaka et al.·Aug 4, 2026SaveLearn
Understanding and Designing Phase Change Materials: Insights from Atom Probe TomographyPhase Change Materials (PCMs) can be rapidly and reversibly switched between their amorphous and crystalline state; a transition which is accompanied by a pronounced change of optoelectronic…Jan Köttgen, Nils von den Driesch, Alexander Pawlis et al.·Aug 4, 2026SaveLearn
Phonon-based determination of elastic coefficients in the Weyl semimetal TaAsReliable determination of elastic properties in topological semimetals is essential for understanding strain-related effects, but is often hindered by methodological and computational limitations. In…Fabián Jofré-Parra, Debankita Ghosh, Enrique Muñoz·Aug 4, 2026SaveLearn
Optical centers in cubic boron nitride and diamond: remarkable similaritiesWe present a comparative study of optical absorption and luminescence from cubic boron nitride (cBN) and diamond grown by the high-pressure high-temperature technique in the same cubic press. We note…Konstantin Iakoubovskii, Andrey Katrusha, Weihua Peng et al.·Aug 4, 2026SaveLearn
Physics-Informed Machine Learning for Refractory Alloy DesignRefractory complex concentrated alloys (CCAs) exhibit exceptional mechanical properties at elevated temperatures, but their vast compositional space (approximately 1015 possible combinations) poses…Blaise Awola Ayirizia, Bimal K C, Jorge A. Munoz San Martin·Aug 4, 2026SaveLearn
From phase transformation to amorphization: damage accumulation in Yb-implanted β-Ga2O3This study provides a comprehensive analysis of the radiation response and structural evolution of differently orientedβ-Ga2O3 single crystals subjected to Yb ion implantation over a wide fluence…Joanna Matulewicz, Renata Ratajczak, Ewa Grzanka et al.·Aug 4, 2026SaveLearn
Guided Synthesis of EMT Zeolites by Machine LearningZeolites are microporous crystalline materials with diverse frameworks, widely used in industrial applications such as petroleum refining and molecular separation. Unlike most zeolites, EMT can be…Emmanuel A. Olanrewaju, Santosh Adhikari, Zhiyin Niu et al.·Aug 4, 2026SaveLearn
Machine Learning-Guided Screening of Advantageous Solvents for Solid Polymer Electrolytes in Lithium Metal BatteriesTrace residual solvents in solid polymer electrolytes (SPEs) significantly affect electrolyte and interface properties, where optimal selection enhances ionic conductivity and transference numbers.…Jiadong Shen, Junjie Chen, Xiaosa Xu et al.·Aug 4, 2026SaveLearn
Epitaxial SiGeSn alloys for CMOS-compatible thermoelectric devicesThe integration of thermoelectric devices into mainstream microelectronic technological platform could be a major breakthrough in various fields within the so-called Green-IT realm. In this…Patrizio Graziosi, Damiano Marian, Andrea Tomadin et al.·Aug 4, 2026SaveLearn
Toward two dimensional MoS2 electretsHere, we show that controlled sulfur vacancy engineering converts monolayer MoS2 into an electret, imparting the ability to store quasi-permanent electrostatic charge within a single atomic layer.…Eugenio Lunedei, Andrea Liscio, Francesco Borgatti et al.·Aug 4, 2026SaveLearn
Strain Tuning of Orbital-Driven Giant Magnetoresistance in van der Waals ferrimagnet Mn3Si2Te6Strain engineering of magnetotransport offers a powerful strategy for uncovering emergent electronic and domain phenomena in quantum magnetic materials, while providing a promising pathway toward…Abdul Ahad, Miuko Tanaka, Shunta Aoki et al.·Aug 4, 2026SaveLearn